SCHEMBL3709682

SCHEMBL3709682

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1cccc(-c2ccccc2C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.38
ACR P10323 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
USP30 Q70CQ3 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2335629 0.92 SLC6A3 (0.44) FTOALDH1A1HPGDACRSLC6A4
SCHEMBL3711309 0.91 FTO (0.36) FTOALDH1A1HPGDACRKDM4E
SCHEMBL3714395 0.88 NR1H4 (0.40) FTOALDH1A1HPGDACRSMN1; SMN2
SCHEMBL3710274 0.85 JMJD6 (0.38) FTOKDM4ENPSR1MAPTLMNA
SCHEMBL3711037 0.85 PTGER1 (0.39) ALDH1A1HPGDSLC6A4SLC6A3SLC6A2
SCHEMBL3704850 0.85 GPBAR1 (0.34) ALDH1A1HPGDSLC6A4SLC6A3SLC6A2
SCHEMBL3702769 0.84 S1PR1 (0.38) FTOALDH1A1HPGDACRSMN1; SMN2
SCHEMBL3711407 0.84 ACR (0.36) FTOALDH1A1HPGDACRKDM4E
SCHEMBL2336114 0.83 LTB4R2 (0.37) FTOALDH1A1HPGDACRKDM4E
SCHEMBL3710286 0.83 MAPT (0.40) FTOALDH1A1HPGDACRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed